✦ LIBER ✦

Vibrational frequencies from anharmonic ab intio/empirical potential energy functions: nitrosyl chloride

✍ Scribed by Peter Botschwina; Heinz Haertner; Wolfgang Sawodny

Book ID: 103018238
Publisher: Elsevier Science
Year: 1980
Tongue: English
Weight: 349 KB
Volume: 74
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(80)85035-4

No coin nor oath required. For personal study only.

✦ Synopsis

An ab mltm/emplncal potential ener,qy functton has been constructed for ONCE from ab uutlo SCF/gradient cakulattons and httle elperlmental mformafion (equrhbnum geometry and fundamentals for '60'1 N3s Cl). A larger number of vtbrational band centers for five lfferent lsotopcs IS calculated from Watson's form of the wbratlonal hamdtoman by the vanattonal method of WhItehead and Handy 0 125(10) 0.14(21) 0 25(9) O-097(93) -4.50 -4

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